UCSF

ZINC65527657

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 4.86 -31.01 4 5 1 65 349.458 6
Hi High (pH 8-9.5) 3.50 4.92 -6.52 3 5 0 64 348.45 6
Mid Mid (pH 6-8) 3.50 7.2 -107.76 5 5 2 67 350.466 6

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.